Geometry & MOs

Info

ID:	244984
PubChem CID:	99431929
Reduced:	SN3O6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	409.130757
ΔH_f, kcal/mol:	-219.85
Dipole, Da:	8.48
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-oxo-1-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]propan-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)NS(=O)(=O)C

DOS

IR

Vibrations